| General Property |
| Molceule ID (DB) | EGIN0004157 |
| Inhibitor Class | Diazepine |
| Molecule Name in Refrence Article | 10e compound |
| IUPAC Name | N-phenyl({3-[(2R)-12,14-dioxo-10,13,16-triazahexacyclo[14.6.1.0^{2,10}.0^{4,9}.0^{11,15}.0^{19,23}]tricosa-1(22),4,6,8,11(15),17,19(23),20-octaen-13-yl]propyl}sulfanyl)methanimidamide |
| Formula | C30H25N5O2S |
| Mass | 519.617 |
| Exact Mass | 519.1728958 |
| Composition | C (69.34%), H (4.85%), N (13.48%), O (6.16%), S (6.17%) |
| Atom Count | 63 |
| PI | No isoelectric point. |
| Smiles | c1ccc2c(c1)N1[C@H](C2)c2c3n(ccc3ccc2)C2=C1C(=O)N(C2=O)CCCSC(=N)Nc1ccccc1 |
| InChI | 1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)1
8-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)/t24-/m1/s1 |
| InChIKey | ZKGCHTUYVMLBSI-XMMPIXPASA-N |
| 2D Structure |  | Structure Backbone |  |
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| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 19053831 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | VEGFR2 | CDK2/CycA | CDK4/CycD1 | TIE2 | VEGFR3 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23333107 |
| ChEMBL Link | CHEMBL487254 |
